CID 384248

Nsc673794

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CCCCCCNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C23H30N4O3/c1-3-4-5-6-13-24-14-8-15-25-23-18-16-17(30-2)11-12-19(18)26-20-9-7-10-21(22(20)23)27(28)29/h7,9-12,16,24H,3-6,8,13-15H2,1-2H3,(H,25,26)
InChIKey
ULFUFZLCZTZFOI-UHFFFAOYSA-N
Compound name
N-hexyl-N'-(7-methoxy-1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.23178 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 198.5
[M+Na]+ 433.22100 202.7
[M-H]- 409.22450 201.6
[M+NH4]+ 428.26560 208.3
[M+K]+ 449.19494 193.1
[M+H-H2O]+ 393.22904 192.4
[M+HCOO]- 455.22998 220.7
[M+CH3COO]- 469.24563 228.7
[M+Na-2H]- 431.20645 206.4
[M]+ 410.23123 202.5
[M]- 410.23233 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe